1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol

C8H16N4O — CID 43524832

IUPAC1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
SMILESCc1nnc(CNCC(C)O)n1C
InChIInChI=1S/C8H16N4O/c1-6(13)4-9-5-8-11-10-7(2)12(8)3/h6,9,13H,4-5H2,1-3H3
InChIKeyLLHRFRHNVJFPQD-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.41
Rot. Bonds4

About 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol

1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol (PubChem CID 43524832) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
PubChem CID43524832
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
SMILESCc1nnc(CNCC(C)O)n1C
InChIInChI=1S/C8H16N4O/c1-6(13)4-9-5-8-11-10-7(2)12(8)3/h6,9,13H,4-5H2,1-3H3
InChIKeyLLHRFRHNVJFPQD-UHFFFAOYSA-N
XLogP-0.41
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1-Trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63899230
1,1,1-Trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63899846
1,1,1-Trifluoro-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 63902306
1-(methylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
CID 64575716
1-(propan-2-ylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
CID 64575904
1-(ethylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
CID 64575905
1-(propylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
CID 64576093
3-[(2-Ethyl-1,2,4-triazol-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 105644758
1,1,1-Trifluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 105644790
3-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 105645041
3-[(2-Ethyl-1,2,4-triazol-3-yl)methylamino]-1,1-difluoropropan-2-ol
CID 105645142
1,1-Difluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 105645151

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol (CID 43524832) is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol is Cc1nnc(CNCC(C)O)n1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The InChIKey is LLHRFRHNVJFPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-6(13)4-9-5-8-11-10-7(2)12(8)3/h6,9,13H,4-5H2,1-3H3.
What are the key properties of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol has a molecular weight of 184.24 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 43524832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).